N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide

C13H8ClF3N4OS — CID 126471176

IUPACN-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
SMILESO=C(NCc1ncc(C(F)(F)F)cc1Cl)c1cn2ccsc2n1
InChIInChI=1S/C13H8ClF3N4OS/c14-8-3-7(13(15,16)17)4-18-9(8)5-19-11(22)10-6-21-1-2-23-12(21)20-10/h1-4,6H,5H2,(H,19,22)
InChIKeyLCRSGUFDLHTFKF-UHFFFAOYSA-N
MW360.75 g/mol
LogP3.39
Rot. Bonds3

About N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide

N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide (PubChem CID 126471176) has the molecular formula C13H8ClF3N4OS and a molecular weight of 360.75 g/mol. Its IUPAC name is N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide.

Molecular Properties

Compound NameN-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
PubChem CID126471176
Molecular FormulaC13H8ClF3N4OS
Molecular Weight360.75 g/mol
Exact Mass360.01
IUPAC NameN-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
SMILESO=C(NCc1ncc(C(F)(F)F)cc1Cl)c1cn2ccsc2n1
InChIInChI=1S/C13H8ClF3N4OS/c14-8-3-7(13(15,16)17)4-18-9(8)5-19-11(22)10-6-21-1-2-23-12(21)20-10/h1-4,6H,5H2,(H,19,22)
InChIKeyLCRSGUFDLHTFKF-UHFFFAOYSA-N
XLogP3.39
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.75
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide?
The IUPAC name of N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide (CID 126471176) is N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide.
What is the SMILES notation for N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide?
The canonical SMILES for N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide is O=C(NCc1ncc(C(F)(F)F)cc1Cl)c1cn2ccsc2n1.
What is the InChIKey of N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide?
The InChIKey is LCRSGUFDLHTFKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClF3N4OS/c14-8-3-7(13(15,16)17)4-18-9(8)5-19-11(22)10-6-21-1-2-23-12(21)20-10/h1-4,6H,5H2,(H,19,22).
What are the key properties of N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide?
N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide has a molecular weight of 360.75 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide is sourced from PubChem (CID 126471176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).